ID 111586
Author
Lepp, Zsolt The University of Tokushima
Kinoshita, Takashi The University of Tokushima
Keywords
database
lead searching
virtual screening
antidepressant
support vector machine
atom-type descriptors
diversity
multiple activities
Content Type
Journal Article
Description
Virtual screening was carried out against various biological targets related to depression by support vector machine classification using the atom-type descriptors. The models were effective as over 75 and 95% of the molecules in external test datasets could be correctly classified, depending on target. Antidepressant compounds had predicted activity against 2.3 targets, on average. An introduction is given to virtual screening and the results of classification experiments are presented
Journal Title
The Journal of Medical Investigation
ISSN
13496867
13431420
NCID
AA11166929
AA12022913
Publisher
Faculty of Medicine Tokushima University
Volume
52
Issue
Supplement
Start Page
297
End Page
299
Sort Key
297
Published Date
2005-11
EDB ID
DOI (Published Version)
URL ( Publisher's Version )
FullText File
language
eng
TextVersion
Publisher
departments
Pharmaceutical Sciences